Cas no 116033-56-8 (4-Benzothiazolol,2-(methylamino)-)

4-Benzothiazolol,2-(methylamino)- structure
116033-56-8 structure
Product Name:4-Benzothiazolol,2-(methylamino)-
CAS No:116033-56-8
MF:C8H8N2OS
MW:180.226920127869
CID:131041
PubChem ID:73011350
Update Time:2025-04-19

4-Benzothiazolol,2-(methylamino)- Chemical and Physical Properties

Names and Identifiers

    • 4-Benzothiazolol,2-(methylamino)-
    • 4-Benzothiazolol,2-methylamino-(6CI)
    • 2-(METHYLAMINO)-1,3-BENZOTHIAZOL-4-OL
    • 2-(methylamino)benzo[d]thiazol-4-ol
    • 116033-56-8
    • Inchi： 1S/C8H8N2OS/c1-9-8-10-7-5(11)3-2-4-6(7)12-8/h2-4,11H,1H3,(H,9,10)
    • InChI Key： PHXFHQIHFLZFPP-UHFFFAOYSA-N
    • SMILES： S1C(NC)=NC2C(=CC=CC1=2)O

Computed Properties

  • Exact Mass: 180.03573406g/mol
  • Monoisotopic Mass: 180.03573406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 167
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 73.4?2

4-Benzothiazolol,2-(methylamino)- Related Literature

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